Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.2121    0.5064   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3273   -0.2189    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077    0.0315    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987    0.9410   -0.6244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -0.6953    0.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5784   -0.4204    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -1.0577   -0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4447   -0.7827   -0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720    0.1450    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039    0.8012    1.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717    0.5166    1.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922    0.4319   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0864    1.2695    0.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388   -0.2477   -1.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    1.2744   -0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2706    0.3294   -0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5957   -1.0039    1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -1.7822   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -1.2843   -1.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9243    1.5392    1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797    1.0188    2.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3201   -0.1337   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183   -1.3368   -1.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232    0.1586   -2.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers